methyl 4-[[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate

Systemtic Name: methyl 4-[[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate CAS Name: 4-[[[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Traditional Name: 4-[[6-mesyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoic acid methyl ester Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H20N2O6S2/c1-27-11-10-22-16-9-8-15(30(3,25)26)12-17(16)29-20(22)21-18(23)13-4-6-14(7-5-13)19(24)28-2/h4-9,12H,10-11H2,1-3H3